Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHIKAENIIVSYDQKEIINNLSLSILNQKITTIIGANGCGKSTLLKALTRIHKIKDGTITIDGHDIAH-LPTKEIAKKIALLPQVLE--ATEGITVYELISYGRFPHQKYLGNLTNDDRSKIHWAMEMTNVAQFANRDVDDLSGGQRQKVWIAMALAQDTDTIFLDEPTTYLDMNHQLEVLELLKKLNNE-TQKTIIMVLHDLNLSARYSDYLVAMKTGKIIYEGSPSQIMTKDIIKDIFKIDAHIIQDPISKQPVLLSYQLSTDQN
2IHY Chain:A ((20-262))
-MLIQLDQIGRMKQGKTILKKISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATSGTVNLFGKMP--GYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGA---------IDDEIRNEAHQLLKLVGMSAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLSILDSLSDSYPTLAMIYVTHFIEEITANFSKILLLKDGQSIQQGAVEDILTSENMSRFFQKNVAVQRWNNRFSMAML---------
General information:
TITO was launched using:
RESULT:
Template:
2IHY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -163406 for 1803 contacts (-90.6/contact) +
2D Compatibility (PS) -24737 + (NN) -9429 + (LL) 1260
1D Compatibility (HY) -13600 + (ID) 2750
Total energy: -212662.0 ( -117.95 by residue)
QMean score : 0.468
(partial model without unconserved sides chains):
PDB file :
Tito_2IHY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IHY-query.scw
PDB file :
Tito_Scwrl_2IHY.pdb
: